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9IOM

CapE apo form

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-02-06
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9792
Spacegroup nameP 32 2 1
Unit cell lengths89.215, 89.215, 81.090
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution27.970 - 1.648
R-factor0.205
Rwork0.204
R-free0.22660
Structure solution methodAB INITIO PHASING
RMSD bond length0.006
RMSD bond angle0.830
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX ((1.16_3549: ???))
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.690
High resolution limit [Å]1.6484.0701.650
Rmerge0.0870.0661.113
Rmeas0.0890.0691.142
Rpim0.0210.0170.255
Number of reflections4539232012977
<I/σ(I)>6.8
Completeness [%]100.099.9100
Redundancy191619.9
CC(1/2)0.9980.9990.853
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP291.150.1 M sodium acetate pH 4.5, 5% (w/v) PEG1000, 50% (v/v) ethylene glycol

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